Sugi Predict

Sugi Predict / Compounds / SCHEMBL8760784

SCHEMBL8760784

SCHEMBL8760784

CCC(CC)C(=O)Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5729946 0.89 PTGER1 (0.45) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL8762255 0.85 TAS1R3 (0.44) CYP2C9ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21734883 0.85 IDO1 (0.44) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL8762247 0.81 PTGER1 (0.46) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL1196841 0.81 GAA (0.44) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL29927204 0.81 GAA (0.44) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL23254120 0.80 IDO1 (0.43) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL31718056 0.79 SLC6A4 (0.43) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL16799845 0.79 SLC6A4 (0.43) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL18104501 0.79 MAPT (0.42) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 — — EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 PTGER1 1/4885HSP90AA1 3578/4885HSP90AB1 2945/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.